- InChI
- InChI=1S/C11H14O/c1-9(2)12-10(3)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
- InChI Key
- ZNZYLDJKNNOZEN-UHFFFAOYSA-N
- Formula
- C11H14O
- SMILES
- C=C(OC(C)C)c1ccccc1
- Molecular Weight1
- 162.23
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -101.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.082 | Crippen Calculated Property | |
| McVol | 143.660 | ml/mol | McGowan Calculated Property |
| Pc | 2755.56 | kPa | Joback Calculated Property |
| Inp | [1193.00; 1193.00] |
|
|
| Inp | 1193.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Tboil | 457.35 | K | Relay (1.0) Calculated Property |
| Tc | 677.25 | K | Relay (1.0) Calculated Property |
| Tfus | 226.56 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [187.01; 458.56] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.98800e+01 | |||
| Coefficient B | 8.92540e-01 | |||
| Coefficient C | -5.23200e-04 | |||
| Coefficient D | 1.09100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 187.01 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 235.23 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 278.13 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 316.06 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 349.37 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 378.39 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 403.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 424.97 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 443.21 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 458.56 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to .alpha.-Isopropoxystyrene.
Sources
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